In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | Yes |
Popular Name: (2R,4S)-N-[(1S)-2-(diethylamino)-1-methyl-ethyl]-4-methoxy-pyrrolidine-2-carboxamide (2R,4S)-N-[(1S)-2-(diethylamino)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.41 | 3.65 | -92.91 | 4 | 5 | 2 | 59 | 259.394 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 2.27 | -38.12 | 3 | 5 | 1 | 55 | 258.386 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 1.35 | -45.06 | 3 | 5 | 1 | 66 | 258.386 | 7 | ↓ |